N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine

C14H23N — CID 82470206

IUPACN-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H23N/c1-6-15-10-12-7-8-13(9-11(12)2)14(3,4)5/h7-9,15H,6,10H2,1-5H3
InChIKeyMPDYLDMPANDASJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.40
Rot. Bonds3

About N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine

N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine (PubChem CID 82470206) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
PubChem CID82470206
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H23N/c1-6-15-10-12-7-8-13(9-11(12)2)14(3,4)5/h7-9,15H,6,10H2,1-5H3
InChIKeyMPDYLDMPANDASJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
2-[[(4-tert-butyl-2-methylphenyl)methylamino]methyl]butanenitrile
CID 115253828
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
1-N-[(4-tert-butyl-2-methylphenyl)methyl]pentane-1,4-diamine
CID 115203855
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
CID 115163000
bis(5-tert-butyl-2-methylphenyl)phosphinous acid
CID 71196791
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine (CID 82470206) is N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine is CCNCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine?
The InChIKey is MPDYLDMPANDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-15-10-12-7-8-13(9-11(12)2)14(3,4)5/h7-9,15H,6,10H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine?
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 82470206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).